1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione

C13H22N2O2 — CID 65301823

IUPAC1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC(CNC1CC1)CN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C13H22N2O2/c1-9(7-14-10-4-5-10)8-15-11(16)6-13(2,3)12(15)17/h9-10,14H,4-8H2,1-3H3
InChIKeyKJTAJNXIAWHNAM-UHFFFAOYSA-N
MW238.33 g/mol
LogP1.16
Rot. Bonds5

About 1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione

1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione (PubChem CID 65301823) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is 1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione.

Molecular Properties

Compound Name1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione
PubChem CID65301823
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione
SMILESCC(CNC1CC1)CN1C(=O)CC(C)(C)C1=O
InChIInChI=1S/C13H22N2O2/c1-9(7-14-10-4-5-10)8-15-11(16)6-13(2,3)12(15)17/h9-10,14H,4-8H2,1-3H3
InChIKeyKJTAJNXIAWHNAM-UHFFFAOYSA-N
XLogP1.16
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

1-(2-hydroxypropyl)-3,3-dimethylpyrrolidine-2,5-dione
CID 65298071
1-[3-(cyclopropylamino)-2-hydroxypropyl]-4,4-dimethylpiperidine-2,6-dione
CID 62932920
3,3-dimethyl-1-(2-oxopropyl)pyrrolidine-2,5-dione
CID 65301965
1-[2-(bromomethyl)-3,3-dimethylbutyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 65301564
3-[3-(cyclopropylamino)-2-hydroxypropyl]-5,5-dimethylimidazolidine-2,4-dione
CID 43165980
3,3-dimethyl-1-[2-(methylamino)ethyl]pyrrolidine-2,5-dione
CID 65297434
N-[3-[(2S,6R)-2,6-dimethylpiperidin-1-yl]-2-methylpropyl]cyclopropanamine
CID 104968404
1-[2-(aminomethyl)-3,3,3-trifluoropropyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 103366612
1-[2-(3,5-dimethylphenyl)-2-hydroxyethyl]-3,3-dimethylpyrrolidine-2,5-dione
CID 79040413
5-[3-(cyclopropylamino)-2-methylpropyl]pyrazolo[1,5-a]pyrazin-4-one
CID 113446769
5-[(3,3-dimethyl-2,5-dioxopyrrolidin-1-yl)methyl]oxolane-2-carboxylic acid
CID 65301856
1-[3-(cyclopropylamino)-2-methylpropyl]-6,7-dihydro-5H-cyclopenta[b]pyridin-2-one
CID 113391037

Frequently Asked Questions

What is the IUPAC name of 1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione?
The IUPAC name of 1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione (CID 65301823) is 1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione.
What is the SMILES notation for 1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione?
The canonical SMILES for 1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione is CC(CNC1CC1)CN1C(=O)CC(C)(C)C1=O.
What is the InChIKey of 1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione?
The InChIKey is KJTAJNXIAWHNAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-9(7-14-10-4-5-10)8-15-11(16)6-13(2,3)12(15)17/h9-10,14H,4-8H2,1-3H3.
What are the key properties of 1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione?
1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione has a molecular weight of 238.33 g/mol, XLogP of 1.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(cyclopropylamino)-2-methylpropyl]-3,3-dimethylpyrrolidine-2,5-dione is sourced from PubChem (CID 65301823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).